BDBM173197 US10137122, Compound 53::US9096594, 54

SMILES COc1ccccc1C1c2c(NC3=C1C(=O)CC(C)(C)C3)n[nH]c2C(F)(F)F

InChI Key

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 173197   

TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
The Broad Institute

US Patent
LigandPNGBDBM173197(US10137122, Compound 53 | US9096594, 54)
Affinity DataIC50:  12nMT: 2°CAssay Description:The GSK3beta primary screen was conducted in assay ready 1536 plates (Aurora 29847) that contain 2.5 mL/well of 10 mM compound. Human GSK3beta as a G...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCyclin-dependent kinase 5(Homo sapiens (Human))
The Broad Institute

US Patent
LigandPNGBDBM173197(US10137122, Compound 53 | US9096594, 54)
Affinity DataIC50:  1.80E+3nMT: 2°CAssay Description:The GSK3beta primary screen was conducted in assay ready 1536 plates (Aurora 29847) that contain 2.5 mL/well of 10 mM compound. Human GSK3beta as a G...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
The Broad Institute

US Patent
LigandPNGBDBM173197(US10137122, Compound 53 | US9096594, 54)
Affinity DataIC50:  1.08E+6nMAssay Description:20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetGlycogen synthase kinase-3 alpha(Homo sapiens (Human))
The Broad Institute

US Patent
LigandPNGBDBM173197(US10137122, Compound 53 | US9096594, 54)
Affinity DataIC50: <100nMAssay Description:A solution of 4× inhibitor (5 μL), 4× substrate/ATP-Metal solution (5 μL), and 2× Kinase solution (10 μL) was prepared with assay buff...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetGlycogen synthase kinase-3 alpha(Homo sapiens (Human))
The Broad Institute

US Patent
LigandPNGBDBM173197(US10137122, Compound 53 | US9096594, 54)
Affinity DataIC50:  13nMT: 2°CAssay Description:The GSK3beta primary screen was conducted in assay ready 1536 plates (Aurora 29847) that contain 2.5 mL/well of 10 mM compound. Human GSK3beta as a G...More data for this Ligand-Target Pair
In DepthDetails US Patent